SCHEMBL31157768

SCHEMBL31157768

CSCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.46
GNPAT O15228 1/20 0.46
BACE2 Q9Y5Z0 1/20 0.42
SIRT5 Q9NXA8 3/20 0.42
NPY5R Q15761 3/20 0.40
NPY1R P25929 2/20 0.40
NPY4R P50391 2/20 0.40
IL23R Q5VWK5 1/20 0.40
FOLH1 Q04609 1/20 0.40
PTPN1 P18031 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
CTSL P07711 2/20 0.38
CTSS P25774 2/20 0.38
CTSK P43235 2/20 0.38
CTSH P09668 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
PGGT1B P53609 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31157666 0.97 BACE1 (0.45) BACE1GNPATBACE2SIRT5NPY5R
SCHEMBL29897725 0.97 BACE1 (0.45) BACE1GNPATBACE2SIRT5NPY5R
SCHEMBL31157638 0.94 SIRT5 (0.46) BACE1GNPATBACE2SIRT5NPY5R
SCHEMBL31157671 0.94 SIRT5 (0.46) BACE1GNPATBACE2SIRT5NPY5R
SCHEMBL30463266 0.93 GNPAT (0.53) BACE1GNPATSIRT5IL23RFOLH1
SCHEMBL31157701 0.93 BACE1 (0.45) BACE1GNPATBACE2SIRT5NPY5R
SCHEMBL31157720 0.93 SIRT5 (0.46) BACE1GNPATBACE2SIRT5NPY5R
SCHEMBL31157700 0.93 SIRT5 (0.46) BACE1GNPATBACE2SIRT5NPY5R
SCHEMBL3739792 0.92 IL23R (0.45) BACE1GNPATSIRT5NPY5RNPY1R
SCHEMBL31157756 0.92 IL23R (0.45) BACE1GNPATSIRT5NPY5RNPY1R

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3548510-B1 COMPOUNDS USEFUL FOR THE TREATMENT AND/OR CARE OF THE SKIN, HAIR, NAILS AND/OR MUCOUS MEMBRANES LUBRIZOL ADVANCED MAT INC (US) 2024-10-02 EP disclosed